UCSF

ZINC19903216

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 20 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.74 9.66 -38.27 2 2 1 26 290.814 6
Hi High (pH 8-9.5) 3.74 8.53 -4.12 1 2 0 21 289.806 6

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )